SCHEMBL10263221

SCHEMBL10263221

Bc1cc(Br)cc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.47
RAB9A P51151 6/20 0.47
MAPT P10636 4/20 0.43
TP53 P04637 3/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HDAC6 Q9UBN7 4/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC3 O15379 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
ALDH1A1 P00352 1/20 0.38
XDH P47989 1/20 0.37
KIF11 P52732 1/20 0.37
KDM4E B2RXH2 4/20 0.37
GAA P10253 2/20 0.37
MAOA P21397 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2950922 0.89 NPC1 (0.55) NPC1RAB9AMAPTTP53LMNA
SCHEMBL13010504 0.83 NPC1 (0.49) NPC1RAB9AMAPTTP53LMNA
SCHEMBL10262795 0.82 NPC1 (0.41) NPC1RAB9AMAPTTP53LMNA
SCHEMBL2252001 0.79 NPC1 (0.60) NPC1RAB9AMAPTTP53LMNA
SCHEMBL12600290 0.79 NPC1 (0.60) NPC1RAB9AMAPTTP53LMNA
SCHEMBL10263403 0.79 NR1H4 (0.45) NPC1RAB9AMAPTTP53LMNA
SCHEMBL19486779 0.79 NR1H4 (0.45) NPC1RAB9AMAPTTP53LMNA
SCHEMBL10263009 0.78 L3MBTL1 (0.44) NPC1RAB9AMAPTTP53LMNA
SCHEMBL2252159 0.78 NPC1 (0.58) NPC1RAB9AMAPTTP53LMNA
SCHEMBL12311647 0.78 NPC1 (0.58) NPC1RAB9AMAPTTP53LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2468731-A1 CYCLIC AZINE DERIVATIVES, PROCESSES FOR PRODUCING THESE, AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THESE AS COMPONENT Tosoh Corporation (JP) 2012-06-27 EP disclosed